[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone

C21H23N5O2 — CID 110129515

IUPAC[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCC(Cc3cccc(-c4c(C)noc4C)n3)C2)cn1
InChIInChI=1S/C21H23N5O2/c1-13-20(14(2)28-25-13)19-6-4-5-18(24-19)9-16-7-8-26(12-16)21(27)17-10-22-15(3)23-11-17/h4-6,10-11,16H,7-9,12H2,1-3H3
InChIKeyPVGPEIZRJVSTLA-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.16
Rot. Bonds4

About [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone

[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone (PubChem CID 110129515) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
PubChem CID110129515
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCC(Cc3cccc(-c4c(C)noc4C)n3)C2)cn1
InChIInChI=1S/C21H23N5O2/c1-13-20(14(2)28-25-13)19-6-4-5-18(24-19)9-16-7-8-26(12-16)21(27)17-10-22-15(3)23-11-17/h4-6,10-11,16H,7-9,12H2,1-3H3
InChIKeyPVGPEIZRJVSTLA-UHFFFAOYSA-N
XLogP3.16
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110129102
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125017199
2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110129417
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 124988744
1-[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124968773
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 110129186
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 124959727
[3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159037
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124989034
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110129347
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 110135362
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125003846

Frequently Asked Questions

What is the IUPAC name of [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The IUPAC name of [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone (CID 110129515) is [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone is Cc1ncc(C(=O)N2CCC(Cc3cccc(-c4c(C)noc4C)n3)C2)cn1.
What is the InChIKey of [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The InChIKey is PVGPEIZRJVSTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-20(14(2)28-25-13)19-6-4-5-18(24-19)9-16-7-8-26(12-16)21(27)17-10-22-15(3)23-11-17/h4-6,10-11,16H,7-9,12H2,1-3H3.
What are the key properties of [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 110129515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).